Understanding atomic bonding and electronic distributions of a DNA molecule using DFT calculation and BOLS-BC model

Understanding atomic bonding and electronic distributions of a DNA molecule using DFT calculation and BOLS-BC model

Deoxyribonucleic acid (DNA) is an important molecule that has been extensively researched, mainly due to its structure and function. Herein, we investigated the electronic behavior of the DNA molecule containing 1008 atoms using density functional theory. The bond-charge (BC) model shows the relatio...

Full description

Bibliographic Details
Main Authors: Anlin Deng, Hanze Li, Maolin Bo, ZhongKai Huang, Lei Li, Chuang Yao, Fengqin Li
Format: Article
Language:English
Published: Elsevier 2020-12-01
Series:Biochemistry and Biophysics Reports
Subjects:
DNA
DFT calculation
Charge density
BOLS-BC Model
Online Access:http://www.sciencedirect.com/science/article/pii/S240558082030114X

Similar Items

Similar Items